Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 741
- Core Entity Id
- 4016
- Source Entity Count
- 1
- Preferred Name
- 2',4'-dihydroxy-2,3',6'-trimethoxychalcone
- Name En
- Pubchem Id
- 21636239
- Smiles Canonical
- COC1=CC=CC=C1C=CC(=O)C2=C(C=C(C(=C2O)OC)O)OC
- Molecular Formula
- C18H18O6
- Molecular Weight
- 330.3360
- Inchikey
- CRKKMWPCJTZZRE-CMDGGOBGSA-N
- Inchi
- InChI=1S/C18H18O6/c1-22-14-7-5-4-6-11(14)8-9-12(19)16-15(23-2)10-13(20)18(24-3)17(16)21/h4-10,20-21H,1-3H3/b9-8+
- Isomeric Smiles
- COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C(=C2O)OC)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.0197
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2',4'-Dihydroxy-2,3',6'-Trimethoxychalcone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2',4'-Dihydroxy-2,3',6'-Trimethoxychalcone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4'-dihydroxy-2,3',6'-trimethoxychalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2',4'-dihydroxy-2,3',6'-trimethoxychalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
100079-39-8
Role
alias
Source
HERB_v2
Preferred
No
Name
100079-39-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (E)- (9CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (E)- (9CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS022184776
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS022184776
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-60029
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-60029
Role
alias
Source
itcmdb_public
Preferred
No
Name
F92948
Role
alias
Source
HERB_v2
Preferred
No
Name
F92948
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10061
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10061
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120330
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120330
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one100079-39-82-Propen-1-one, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (E)- (9CI)2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-AKOS022184776DA-60029F92948FS-10061LMPK12120330
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004313
Npass
NPC73528
Tcmid
41124
Sym Map
SMIT20441
Pub Chem
21636239
Tcmbank
TCMBANKIN003213
Itcmdb Generated
ITX-INGREDIENT-3D79C1BC1E44
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H18O6/c1-22-14-7-5-4-6-11(14)8-9-12(19)16-15(23-2)10-13(20)18(24-3)17(16)21/h4-10,20-21H,1-3H3/b9-8+
Mol Wt
330.3360000000001
Smiles
COC1=CC=CC=C1C=CC(=O)C2=C(C=C(C(=C2O)OC)O)OC
Mol Log P
3.019700000000001
Version
v2
In Ch Ikey
CRKKMWPCJTZZRE-CMDGGOBGSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.625
Num Hacceptors
6
Isomeric Smiles
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C(=C2O)OC)O)OC
Canonical Smiles
COC1=CC=CC=C1C=CC(=O)C2=C(C=C(C(=C2O)OC)O)OC
Herb Alias Names
100079-39-8(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one2-Propen-1-one, 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (E)- (9CI)2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-LMPK12120330AKOS022184776DA-60029FS-10061F92948
Molecular Weight
330.3 g/mol
Molecular Formula
C18H18O6
Molecular Formula
C18H18O6
Num Rotatable Bonds
6